234 related articles for article (PubMed ID: 15248978)
1. Quantum-chemical study of the structure of the acetyl fluoride molecule in the ground and lowest excited singlet and triplet electronic states.
Kudich AV; Bataev VA; Abramenkov AV; Godunov IA
Spectrochim Acta A Mol Biomol Spectrosc; 2004 Jul; 60(8-9):1995-2003. PubMed ID: 15248978
[TBL] [Abstract][Full Text] [Related]
2. Singlet and triplet excited states and intersystem crossing in free-base porphyrin: TDDFT and DFT/MRCI study.
Perun S; Tatchen J; Marian CM
Chemphyschem; 2008 Feb; 9(2):282-92. PubMed ID: 18189251
[TBL] [Abstract][Full Text] [Related]
3. Conformational stabilities and structural parameters of (CH3)(n)CH(3-n) CFO molecules.
Durig DT; Shen S; Li Y; Durig JR
Spectrochim Acta A Mol Biomol Spectrosc; 2004 Jun; 60(7):1481-504. PubMed ID: 15147690
[TBL] [Abstract][Full Text] [Related]
4. The triplet state of cytosine and its derivatives: electron impact and quantum chemical study.
Abouaf R; Pommier J; Dunet H; Quan P; Nam PC; Nguyen MT
J Chem Phys; 2004 Dec; 121(23):11668-74. PubMed ID: 15634133
[TBL] [Abstract][Full Text] [Related]
5. Photophysics of phenalenone: quantum-mechanical investigation of singlet-triplet intersystem crossing.
Daza MC; Doerr M; Salzmann S; Marian CM; Thiel W
Phys Chem Chem Phys; 2009 Mar; 11(11):1688-96. PubMed ID: 19290339
[TBL] [Abstract][Full Text] [Related]
6. High-resolution electronic spectra of ethylenedioxythiophene oligomers.
Wasserberg D; Meskers SC; Janssen RA; Mena-Osteritz E; Bäuerle P
J Am Chem Soc; 2006 Dec; 128(51):17007-17. PubMed ID: 17177452
[TBL] [Abstract][Full Text] [Related]
7. Computational analyses of singlet-singlet and singlet-triplet transitions in mononuclear gold-capped carbon-rich conjugated complexes.
Cao Z; Zhang Q
J Comput Chem; 2005 Sep; 26(12):1214-21. PubMed ID: 15957180
[TBL] [Abstract][Full Text] [Related]
8. Computational study of thioflavin T torsional relaxation in the excited state.
Stsiapura VI; Maskevich AA; Kuzmitsky VA; Turoverov KK; Kuznetsova IM
J Phys Chem A; 2007 Jun; 111(22):4829-35. PubMed ID: 17497763
[TBL] [Abstract][Full Text] [Related]
9. Spectroscopic investigations and potential energy surfaces of the ground and excited electronic states of 1,3-benzodioxan.
McCann K; Wagner M; Guerra A; Coronado P; Villarreal JR; Choo J; Kim S; Laane J
J Chem Phys; 2009 Jul; 131(4):044302. PubMed ID: 19655862
[TBL] [Abstract][Full Text] [Related]
10. Fluorescence and ultraviolet absorption spectra, and the structure and vibrations of 1,2,3,4-tetrahydronaphthalene in its S1(pi,pi*) state.
Yang J; Wagner M; Laane J
J Phys Chem A; 2007 Aug; 111(34):8429-38. PubMed ID: 17685499
[TBL] [Abstract][Full Text] [Related]
11. Absorption spectra of ground-state and low-lying electronic States of copper nitrosyl: a rare gas matrix isolation study.
Krim L; Wang X; Manceron L; Andrews L
J Phys Chem A; 2005 Nov; 109(45):10264-72. PubMed ID: 16833320
[TBL] [Abstract][Full Text] [Related]
12. Theoretical study of low-lying triplet states of aniline.
Hou XJ; Quan P; Höltzl T; Veszprémi T; Nguyen MT
J Phys Chem A; 2005 Nov; 109(45):10396-402. PubMed ID: 16833336
[TBL] [Abstract][Full Text] [Related]
13. Accelerated and efficient photochemistry from higher excited electronic states in fulgide molecules.
Cordes T; Malkmus S; DiGirolamo JA; Lees WJ; Nenov A; de Vivie-Riedle R; Braun M; Zinth W
J Phys Chem A; 2008 Dec; 112(51):13364-71. PubMed ID: 19049317
[TBL] [Abstract][Full Text] [Related]
14. Density functional theory calculations of the lowest energy quintet and triplet states of model hemes: role of functional, basis set, and zero-point energy corrections.
Khvostichenko D; Choi A; Boulatov R
J Phys Chem A; 2008 Apr; 112(16):3700-11. PubMed ID: 18348545
[TBL] [Abstract][Full Text] [Related]
15. CASSCF and CASPT2 studies on the structures, transition energies, and dipole moments of ground and excited states for azulene.
Murakami A; Kobayashi T; Goldberg A; Nakamura S
J Chem Phys; 2004 Jan; 120(3):1245-52. PubMed ID: 15268250
[TBL] [Abstract][Full Text] [Related]
16. Time-resolved resonance Raman and density functional theory study of hydrogen-bonding effects on the triplet state of p-methoxyacetophenone.
Chan WS; Ma C; Kwok WM; Phillips DL
J Phys Chem A; 2005 Apr; 109(15):3454-69. PubMed ID: 16833683
[TBL] [Abstract][Full Text] [Related]
17. Vibrational structure of n-π* transition of the UV absorption spectrum of acryloyl fluoride in the gas phase.
Koroleva LA; Tyulin VI; Matveev VK; Pentin YA
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Mar; 122():609-15. PubMed ID: 24334062
[TBL] [Abstract][Full Text] [Related]
18. Raman spectrum, conformational stability, barriers to internal rotations and DFT calculations of 1,1,1-trifluoro-propane-2-thione with double-internal-symmetric rotor.
Mohamed TA; Farag RS
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Dec; 62(4-5):800-7. PubMed ID: 16303627
[TBL] [Abstract][Full Text] [Related]
19. The ground and two lowest-lying singlet excited electronic states of copper hydroxide (CuOH).
Wang S; Paul A; DeYonker NJ; Yamaguchi Y; Schaefer HF
J Chem Phys; 2005 Jul; 123(1):014313. PubMed ID: 16035841
[TBL] [Abstract][Full Text] [Related]
20. DFT/TDDFT exploration of the potential energy surfaces of the ground state and excited states of Fe2(S2C3H6)(CO)6: a simple functional model of the [FeFe] hydrogenase active site.
Bertini L; Greco C; De Gioia L; Fantucci P
J Phys Chem A; 2009 May; 113(19):5657-70. PubMed ID: 19378958
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
